(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one

C15H24O2 — CID 134836356

IUPAC(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one
SMILESC=CCOC/C1=C\CCCCC(=O)CCC1C
InChIInChI=1S/C15H24O2/c1-3-11-17-12-14-7-5-4-6-8-15(16)10-9-13(14)2/h3,7,13H,1,4-6,8-12H2,2H3/b14-7+
InChIKeyAQRMZMOETACYAR-VGOFMYFVSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds4

About (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one

(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one (PubChem CID 134836356) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one.

Molecular Properties

Compound Name(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one
PubChem CID134836356
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one
SMILESC=CCOC/C1=C\CCCCC(=O)CCC1C
InChIInChI=1S/C15H24O2/c1-3-11-17-12-14-7-5-4-6-8-15(16)10-9-13(14)2/h3,7,13H,1,4-6,8-12H2,2H3/b14-7+
InChIKeyAQRMZMOETACYAR-VGOFMYFVSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one?
The IUPAC name of (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one (CID 134836356) is (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one.
What is the SMILES notation for (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one?
The canonical SMILES for (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one is C=CCOC/C1=C\CCCCC(=O)CCC1C.
What is the InChIKey of (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one?
The InChIKey is AQRMZMOETACYAR-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-11-17-12-14-7-5-4-6-8-15(16)10-9-13(14)2/h3,7,13H,1,4-6,8-12H2,2H3/b14-7+.
What are the key properties of (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one?
(5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-5-(prop-2-enoxymethyl)cyclodec-5-en-1-one is sourced from PubChem (CID 134836356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).